Geometry & MOs

Info

ID:	21953
PubChem CID:	594249
Reduced:	SCl2N2C8H8 (1)
Stoich.:	AB2C2D8E8 (1)
Weight, g/mol:	233.978525
ΔH_f, kcal/mol:	19.99
Dipole, Da:	2.99
IP(EA), eV:	-9.36(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2,4-dichlorophenyl)methyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CN=C(N)S

DOS

IR

Vibrations